Reduction formula for point group Cs



Characters for molecular motions
Motion E h
Cartesian 3N 108 36
Translation (x,y,z) 3 1
Rotation (Rx,Ry,Rz) 3 -1
Vibration 102 36



Decomposition into Irreducible representations
Motion A' A'' Total
Cartesian 3N 72 36 108
Translation (x,y,z) 2 1 3
Rotation (Rx,Ry,Rz) 1 2 3
Vibration 69 33 102



Molecule Parameter
Number of Atoms (N) 36
Number of internal coordinates 102
Number of independant internal coordinates 69
Number of vibrational modes 102





Force field analysis


Allowed / forbidden vibronational transitions
Operator A' A'' Total
Linear (IR) 69 33 102 / 0
Quadratic (Raman) 69 33 102 / 0
IR + Raman 69 33 102 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E h
linear 1 102 36
quadratic 2 5.253 699
cubic 3 182.104 9.624
quartic 4 4.780.230 104.790
quintic 5 101.340.876 956.592
sextic 6 1.807.245.622 7.590.842


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A' A''
linear 1 69 33
quadratic 2 2.976 2.277
cubic 3 95.864 86.240
quartic 4 2.442.510 2.337.720
quintic 5 51.148.734 50.192.142
sextic 6 907.418.232 899.827.390


Literature




Character tables for chemically important point groups Character table for point group Cs Constructor University Bremen

Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement